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{chem}[foss/2023a] CP2K v2024.2 w/ CUDA 12.2.0#21350

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beeebiii wants to merge 2 commits intoeasybuilders:developfrom
beeebiii:my_test
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{chem}[foss/2023a] CP2K v2024.2 w/ CUDA 12.2.0#21350
beeebiii wants to merge 2 commits intoeasybuilders:developfrom
beeebiii:my_test

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@beeebiii beeebiii commented Sep 9, 2024

Hi, this is the easyconfig of CP2K-2024.2-foss-2023a-CUDA-12.2.0.eb that i created using the easyblock pull-request(easybuilders/easybuild-easyblocks#3433). This recipe has a successfull test of almost 4000 tests and only fails for 50 test.

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beeebiii commented Sep 10, 2024

Now using easyblock easybuilders/easybuild-easyblocks#3433, all the tests passed and i was able to build CP2K+GPU enabled installation. Although i had to do hardcode some stuff, because withouth those, it doesnot work!!

@boegel boegel changed the title This is the easyconfig file for the new cp2k.py in PR(3433) {chem}[foss/2023a] CP2K v2024.2 w/ CUDA 12.2.0 Sep 11, 2024
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@beeebiii You might want to sync your PR with development, something like this:

eb --sync-pr-with-develop NUMBER_OF_PR

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